N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine

C11H15N5O — CID 112636750

IUPACN-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(Nc2cnn(C)c2)n1
InChIInChI=1S/C11H15N5O/c1-8(2)17-10-4-5-12-11(15-10)14-9-6-13-16(3)7-9/h4-8H,1-3H3,(H,12,14,15)
InChIKeyQUYHQHKYYFGXBM-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.74
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine

N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112636750) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112636750
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(Nc2cnn(C)c2)n1
InChIInChI=1S/C11H15N5O/c1-8(2)17-10-4-5-12-11(15-10)14-9-6-13-16(3)7-9/h4-8H,1-3H3,(H,12,14,15)
InChIKeyQUYHQHKYYFGXBM-UHFFFAOYSA-N
XLogP1.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine (CID 112636750) is N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(Nc2cnn(C)c2)n1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is QUYHQHKYYFGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8(2)17-10-4-5-12-11(15-10)14-9-6-13-16(3)7-9/h4-8H,1-3H3,(H,12,14,15).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine?
N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 233.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112636750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).